UCSF

ZINC58162296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 8.82 -13.36 1 6 0 62 435.568 8
Lo Low (pH 4.5-6) 2.46 11.09 -52.04 2 6 1 63 436.576 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )